SCHEMBL27467415

SCHEMBL27467415

O=C(O)c1ccc(CNc2cccc(Cn3ccnc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.52
TBXAS1 P24557 3/20 0.50
ALDH1A1 P00352 2/20 0.45
AGTR2 P50052 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27481116 0.85 TBXAS1 (0.54) CYP19A1TBXAS1AGTR2CYP11B1CYP11B2
SCHEMBL2651961 0.75 ALDH1A1 (0.51) CYP19A1ALDH1A1CYP11B1CYP11B2LMNA
SCHEMBL9853963 0.75 CYP19A1 (0.80) CYP19A1TBXAS1AGTR2CYP11B1CYP11B2
SCHEMBL27467900 0.73 SERPINE1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL23978310 0.72 MAPT (0.57) ALDH1A1LMNA
SCHEMBL9665076 0.71 ALDH1A1 (0.61) CYP19A1TBXAS1ALDH1A1CYP11B1CYP11B2
SCHEMBL10580633 0.71 CYP19A1 (0.58) CYP19A1TBXAS1ALDH1A1CYP11B1CYP11B2
SCHEMBL10578330 0.71 CYP19A1 (0.61) CYP19A1TBXAS1ALDH1A1CYP11B1CYP11B2
SCHEMBL6005065 0.71 MEN1 (0.52) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL2652140 0.70 CYP19A1 (0.44) CYP19A1ALDH1A1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1167686-C Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds О 2004-09-22 CN disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN disclosed